(3S,4R)-3-acetyloxy-4-(3-chloranylpropyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid

Systemtic Name: (3S,4R)-3-acetyloxy-4-(3-chloranylpropyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Openeye Name: (3S,4R)-3-acetoxy-4-(3-chloropropyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid CAS Name: (3S,4R)-3-acetyloxy-4-(3-chloropropyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid IUPAC Name: (3S,4R)-3-acetyloxy-4-(3-chloropropyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Traditional Name: (3S,4R)-3-acetoxy-4-(3-chloropropyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid Formula: C16H19ClO6S MolecularWeight: 374.83646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC2=C(C=C(C=C2)OC)SC1(CCCCl)C(=O)O

Isomeric SMILES

CC(=O)O[C@H]1COC2=C(C=C(C=C2)OC)S[C@@]1(CCCCl)C(=O)O

InChI

InChI=1S/C16H19ClO6S/c1-10(18)23-14-9-22-12-5-4-11(21-2)8-13(12)24-16(14,15(19)20)6-3-7-17/h4-5,8,14H,3,6-7,9H2,1-2H3,(H,19,20)/t14-,16+/m0/s1